4-amino-N-butan-2-yl-2-(furan-2-yl)pyrimidine-5-carboxamide

C13H16N4O2 — CID 83567628

IUPAC4-amino-N-butan-2-yl-2-(furan-2-yl)pyrimidine-5-carboxamide
SMILESCCC(C)NC(=O)c1cnc(-c2ccco2)nc1N
InChIInChI=1S/C13H16N4O2/c1-3-8(2)16-13(18)9-7-15-12(17-11(9)14)10-5-4-6-19-10/h4-8H,3H2,1-2H3,(H,16,18)(H2,14,15,17)
InChIKeyIXVPPSISRPTODS-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.85
Rot. Bonds4

About 4-amino-N-butan-2-yl-2-(furan-2-yl)pyrimidine-5-carboxamide

4-amino-N-butan-2-yl-2-(furan-2-yl)pyrimidine-5-carboxamide (PubChem CID 83567628) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-amino-N-butan-2-yl-2-(furan-2-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-butan-2-yl-2-(furan-2-yl)pyrimidine-5-carboxamide
PubChem CID83567628
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-amino-N-butan-2-yl-2-(furan-2-yl)pyrimidine-5-carboxamide
SMILESCCC(C)NC(=O)c1cnc(-c2ccco2)nc1N
InChIInChI=1S/C13H16N4O2/c1-3-8(2)16-13(18)9-7-15-12(17-11(9)14)10-5-4-6-19-10/h4-8H,3H2,1-2H3,(H,16,18)(H2,14,15,17)
InChIKeyIXVPPSISRPTODS-UHFFFAOYSA-N
XLogP1.85
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-(furan-2-yl)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
CID 83567625
4-amino-N-[(2,6-dichlorophenyl)methyl]-2-(furan-2-yl)pyrimidine-5-carboxamide
CID 142609116
N-butan-2-yl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3637493
4-amino-2-(3-ethoxyphenyl)-N-propan-2-ylpyrimidine-5-carboxamide
CID 83567312
N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19513917
N-butan-2-yl-3-(furan-2-yl)-1-methylpyrazole-5-carboxamide
CID 42656738
5-(2,2-dimethylpropanoyl)-2-(furan-2-yl)pyrimidine-4-carboxylic acid
CID 82170400
4-amino-N-propan-2-yl-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 83567425
ethyl 4-(diethylamino)-2-(furan-2-yl)pyrimidine-5-carboxylate
CID 59517794
6-amino-N-butan-2-ylpyridine-3-carboxamide
CID 62072773
4-ethyl-2-(furan-2-yl)pyrimidin-5-amine
CID 82374827
ethyl 2-(furan-2-yl)-4-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylate
CID 59517674

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butan-2-yl-2-(furan-2-yl)pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-butan-2-yl-2-(furan-2-yl)pyrimidine-5-carboxamide (CID 83567628) is 4-amino-N-butan-2-yl-2-(furan-2-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-butan-2-yl-2-(furan-2-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-butan-2-yl-2-(furan-2-yl)pyrimidine-5-carboxamide is CCC(C)NC(=O)c1cnc(-c2ccco2)nc1N.
What is the InChIKey of 4-amino-N-butan-2-yl-2-(furan-2-yl)pyrimidine-5-carboxamide?
The InChIKey is IXVPPSISRPTODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-3-8(2)16-13(18)9-7-15-12(17-11(9)14)10-5-4-6-19-10/h4-8H,3H2,1-2H3,(H,16,18)(H2,14,15,17).
What are the key properties of 4-amino-N-butan-2-yl-2-(furan-2-yl)pyrimidine-5-carboxamide?
4-amino-N-butan-2-yl-2-(furan-2-yl)pyrimidine-5-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butan-2-yl-2-(furan-2-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 83567628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).